Structure Database (LMSD)
Common Name
Tarenninoside F
Systematic Name
Synonyms
- 4'-O-(E)-feruloylixoside
3D model of Tarenninoside F
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Tarenna attenuata
(#1547788)
Magnoliopsida
(#3398)
Iridoid constituents of Tarenna attenuata.,
J Nat Prod, 2006
J Nat Prod, 2006
Pubmed ID:
16792422
String Representations
InChiKey (Click to copy)
FUGSRMDGBKMQKP-FJLCAHCVSA-N
InChi (Click to copy)
InChI=1S/C26H28O15/c1-37-16-8-11(2-6-15(16)28)3-7-18(29)40-21-17(9-27)39-24(20(31)19(21)30)41-25-26(36)13(4-5-14(26)23(34)35)12(10-38-25)22(32)33/h2-3,5-8,10,13,17,19-21,24-25,27-28,30-31,36H,4,9H2,1H3,(H,32,33)(H,34,35)/b7-3+/t13-,17-,19-,20-,21+,24+,25+,26-/m1/s1
SMILES (Click to copy)
C1(C(=O)O)[C@@]2([H])CC=C(C(O)=O)[C@@]2(O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC(/C=C/C3=CC(OC)=C(O)C=C3)=O)[C@@H](CO)O2)OC=1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
4
Aromatic Rings
1
Rotatable Bonds
10
Van der Waals Molecular Volume
506.11
Topological Polar Surface Area
243.11
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
15
logP
1.16
Molar Refractivity
135.86
Admin
Created at
24th Jul 2020
Updated at
24th Jul 2020